SCHEMBL4295250

SCHEMBL4295250

CCN(CC)C(=O)C1(C)CCCN(C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
CHRM1 P11229 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GPR119 Q8TDV5 3/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
BACE1 P56817 1/20 0.36
HCAR1 Q9BXC0 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4291899 0.84 HPGD (0.38) EPHX1HPGDMEN1KMT2AMAPT
SCHEMBL16992583 0.77 HPGD (0.47) EPHX1HPGDPOLBGPR119RECQL
SCHEMBL29787317 0.76 HPGD (0.49) EPHX1HPGDCHRM1MEN1KMT2A
SCHEMBL25124330 0.76 HPGD (0.49) EPHX1HPGDCHRM1MEN1KMT2A
SCHEMBL7028601 0.75 ACACB (0.53) EPHX1HPGDMEN1KMT2ARECQL
SCHEMBL17128329 0.74 HPGD (0.62) EPHX1HPGDGPR119RECQLKDM4E
SCHEMBL994288 0.74 HPGD (0.58) EPHX1HPGDGPR119RECQLKDM4E
SCHEMBL14222001 0.74 GPR119 (0.42) EPHX1HPGDPOLBCHRM1MEN1
SCHEMBL18609193 0.74 HPGD (0.46) EPHX1HPGDCHRM1GPR119RECQL
SCHEMBL14222826 0.73 ACACB (0.41) EPHX1HPGDPOLBCHRM1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
EP-2009011-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-12-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TNNC1, CPT1B, TNNI3 EPHX1 2910/4885HPGD 595/4885POLB 3417/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.